Ligand name: 5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1H-indole-2-carbonitrile
PDB ligand accession: 3XY
DrugBank: n/a
PubChem: 86297077
ChEMBL: CHEMBL3780497
InChI Key: PSOJDGBGVBEYJX-UHFFFAOYSA-N
SMILES: c1cc2c(cc1CN3CCC(CC3)Nc4c5cc(sc5ncn4)CC(F)(F)F)cc([nH]2)C#N
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Thienopyrimidines
      • Subclass: None

List of PDB structures and/or AlphaFold models with target protein O00255

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4X5Z	Download	Experimental	e4x5zA1 e4x5zA2	Repetitive alpha hairpins Cysteine proteinases-like	LigPlot